Information card for entry 7002464

Structure parameters

• Formula: C36 H28 Cu2 N8 O6
• Calculated formula: C36 H28 Cu2 N8 O6
• SMILES: c12cccc(c2)N2C(=O)c3cccc[n]3[Cu]32[n]2ccccc2C(=O)N3c2cc(N3C(=O)c4cccc[n]4[Cu]43[n]3ccccc3C(=O)N14)ccc2.O.O
• Title of publication: Enhanced ferromagnetic interaction in metallacyclic complexes incorporating m-phenylenediamidato bridges.
• Authors of publication: Palacios, María A.; Rodríguez-Diéguez, Antonio; Sironi, Angelo; Herrera, Juan Manuel; Mota, Antonio J.; Cano, Joan; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8538 - 8547
• a: 8.6561 ± 0.0017 Å
• b: 10.239 ± 0.002 Å
• c: 11.33 ± 0.002 Å
• α: 88.28 ± 0.03°
• β: 70.29 ± 0.03°
• γ: 71.76 ± 0.03°
• Cell volume: 894.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No